Compound Detail
CHEMBL599175
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Basic Information
| ChEMBL ID | CHEMBL599175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MICVDZKNTJYUNK-FPOVZHCZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
3.75
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 5.79 | 5.79 | 1630.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 5.65 | 5.65 | 2220.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.14 | 5.14 | 7210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 1630.0 | nM | 5.79 | Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells | 20005115 |
| Kappa-type opioid receptor | Ki | = | 2220.0 | nM | 5.65 | Displacement of [3H]U69593 from kappa opioid receptor expressed in CHO cells | 20005115 |
| Delta-type opioid receptor | Ki | = | 7210.0 | nM | 5.14 | Displacement of [3H]DADLE from delta opioid receptor expressed in CHO cells | 20005115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20005115 | 10.1016/j.bmc.2009.11.022 | Mu-type opioid receptor | 1 |
| 20005115 | 10.1016/j.bmc.2009.11.022 | Kappa-type opioid receptor | 1 |
| 20005115 | 10.1016/j.bmc.2009.11.022 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine